1-[3-[1-(ethylamino)ethyl]phenyl]-3-pentan-3-ylurea

C16H27N3O — CID 61340352

IUPAC1-[3-[1-(ethylamino)ethyl]phenyl]-3-pentan-3-ylurea
SMILESCCNC(C)c1cccc(NC(=O)NC(CC)CC)c1
InChIInChI=1S/C16H27N3O/c1-5-14(6-2)18-16(20)19-15-10-8-9-13(11-15)12(4)17-7-3/h8-12,14,17H,5-7H2,1-4H3,(H2,18,19,20)
InChIKeyQYCJPMNVZYKQIN-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.67
Rot. Bonds7

About 1-[3-[1-(ethylamino)ethyl]phenyl]-3-pentan-3-ylurea

1-[3-[1-(ethylamino)ethyl]phenyl]-3-pentan-3-ylurea (PubChem CID 61340352) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-[3-[1-(ethylamino)ethyl]phenyl]-3-pentan-3-ylurea.

Molecular Properties

Compound Name1-[3-[1-(ethylamino)ethyl]phenyl]-3-pentan-3-ylurea
PubChem CID61340352
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name1-[3-[1-(ethylamino)ethyl]phenyl]-3-pentan-3-ylurea
SMILESCCNC(C)c1cccc(NC(=O)NC(CC)CC)c1
InChIInChI=1S/C16H27N3O/c1-5-14(6-2)18-16(20)19-15-10-8-9-13(11-15)12(4)17-7-3/h8-12,14,17H,5-7H2,1-4H3,(H2,18,19,20)
InChIKeyQYCJPMNVZYKQIN-UHFFFAOYSA-N
XLogP3.67
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[3-[1-(ethylamino)ethyl]phenyl]carbamoylamino]-N-methylpropanamide
CID 61466725
N-[3-[1-(ethylamino)ethyl]phenyl]-2-methylbutanamide
CID 43507836
1-(1-cyclopropylpropan-2-yl)-3-[3-[1-(ethylamino)ethyl]phenyl]urea
CID 63995585
N-[3-[1-(ethylamino)ethyl]phenyl]-2-methylpropanamide
CID 43507815
2-[[3-[1-(ethylamino)ethyl]phenyl]carbamoylamino]acetamide
CID 61339992
1-[3-[1-(ethylamino)ethyl]phenyl]-3-(thiatriazol-5-yl)urea
CID 114913975
1-butan-2-yl-3-[3-[1-(methylamino)ethyl]phenyl]urea
CID 61341261
1-[3-[1-(ethylamino)ethyl]phenyl]-3-piperidin-1-ylurea
CID 83017066
1-[3-[1-(ethylamino)ethyl]phenyl]-3-(3,3,3-trifluoropropyl)urea
CID 63227876
1-[3-[1-(methylamino)ethyl]phenyl]-3-(2-methylpentan-3-yl)urea
CID 61471463
1-[3-[1-(ethylamino)ethyl]phenyl]-3-(1H-imidazol-2-yl)urea
CID 63564699
N-[3-[1-(ethylamino)ethyl]phenyl]-1H-pyrazole-4-carboxamide
CID 55182293

Frequently Asked Questions

What is the IUPAC name of 1-[3-[1-(ethylamino)ethyl]phenyl]-3-pentan-3-ylurea?
The IUPAC name of 1-[3-[1-(ethylamino)ethyl]phenyl]-3-pentan-3-ylurea (CID 61340352) is 1-[3-[1-(ethylamino)ethyl]phenyl]-3-pentan-3-ylurea.
What is the SMILES notation for 1-[3-[1-(ethylamino)ethyl]phenyl]-3-pentan-3-ylurea?
The canonical SMILES for 1-[3-[1-(ethylamino)ethyl]phenyl]-3-pentan-3-ylurea is CCNC(C)c1cccc(NC(=O)NC(CC)CC)c1.
What is the InChIKey of 1-[3-[1-(ethylamino)ethyl]phenyl]-3-pentan-3-ylurea?
The InChIKey is QYCJPMNVZYKQIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-5-14(6-2)18-16(20)19-15-10-8-9-13(11-15)12(4)17-7-3/h8-12,14,17H,5-7H2,1-4H3,(H2,18,19,20).
What are the key properties of 1-[3-[1-(ethylamino)ethyl]phenyl]-3-pentan-3-ylurea?
1-[3-[1-(ethylamino)ethyl]phenyl]-3-pentan-3-ylurea has a molecular weight of 277.41 g/mol, XLogP of 3.67, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[1-(ethylamino)ethyl]phenyl]-3-pentan-3-ylurea is sourced from PubChem (CID 61340352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).